Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50345385
Substrate
n/a
Meas. Tech.
ChEMBL_751786 (CHEMBL1785541)
IC50
90±n/a nM
Citation
 Gujjar, REl Mazouni, FWhite, KLWhite, JCreason, SShackleford, DMDeng, XCharman, WNBathurst, IBurrows, JFloyd, DMMatthews, DBuckner, FSCharman, SAPhillips, MARathod, PK Lead optimization of aryl and aralkyl amine-based triazolopyrimidine inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with antimalarial activity in mice. J Med Chem 54:3935-49 (2011) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase homolog | Dihydroorotate oxidase
Type:
Enzyme
Mol. Mass.:
65581.88
Organism:
Plasmodium falciparum
Description:
His6-tag DHODH was expressed in E. coli.
Residue:
569
Sequence:
MISKLKPQFMFLPKKHILSYCRKDVLNLFEQKFYYTSKRKESNNMKNESLLRLINYNRYYNKIDSNNYYNGGKILSNDRQYIYSPLCEYKKKINDISSYVSVPFKINIRNLGTSNFVNNKKDVLDNDYIYENIKKEKSKHKKIIFLLFVSLFGLYGFFESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLKNIILSVKEEIDNLEKNNIMNDESTYNEDNKIVEKKNNFNKNNSHMMKDAKDNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKRELNHLLYQRGYYNLKEAIGRKHSKS
  
Inhibitor
Name:
BDBM50345385
Synonyms:
CHEMBL1784580 | N-(Benzo[b]thiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | US9238653, Table 5, Compound 11
Type:
Small organic molecule
Emp. Form.:
C14H11N5S
Mol. Mass.:
281.336
SMILES:
Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1
Structure:
Search PDB for entries with ligand similarity: